SCHEMBL2580436

SCHEMBL2580436

NC(=O)c1cccc2c1c1ccccc1n2Cc1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MAPT P10636 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPK10 P53779 1/20 0.55
PLA2G2A P14555 4/20 0.51
PLA2G1B P04054 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
LMNA P02545 3/20 0.50
CCR2 P41597 1/20 0.50
ADRA1D P25100 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
USP2 O75604 1/20 0.48
KDM4E B2RXH2 2/20 0.48
F10 P00742 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6690183 0.85 PLA2G2A (0.62) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL30007780 0.85 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1LMNAADRA1D
SCHEMBL27531161 0.82 PLA2G2A (0.48) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL7054203 0.82 ADRA1D (0.49) CCR2ADRA1D
SCHEMBL27525760 0.81 PLA2G2A (0.47) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL30008203 0.81 BRD4 (0.46) ALDH1A1PLA2G2APLA2G1BCCR2ADRA1D
SCHEMBL6773052 0.81 PLA2G2A (0.50) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL7056324 0.81 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL6984365 0.81 PLA2G2A (0.55) ALDH1A1MAPTPLA2G2ALMNAMEN1
SCHEMBL6782169 0.80 PLA2G2A (0.56) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011137390-A1 TREATMENT OF MAJOR ADVERSE CARDIAC EVENTS AND ACUTE CORONARY SYNDROME IN DIABETIC PATIENTS USING SECRETORY PHOSPHOLIPASE A2 (SPLA2) INHIBITOR OR SPLA2 INHIBITOR COMBINATION THERAPIES ANTHERA PHARMACEUTICALS, INC. (US) 2011-11-03 WO disclosed